CS-0552581
7-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1172040-35-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₂N₂O₃S
Molecular Weight
264.30
Synonyms
7-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido-[2,1-b][1,3]benzothiazole-3-carboxylic acid
SMILES
CC1CCC2=C(C1)N3C(=O)C(=CN=C3S2)C(=O)O
Tpsa
71.67
Logp
1.579
H Acceptors
5
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂N₂O₃S
Molecular Weight: 264.30
Synonyms: 7-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido-[2,1-b][1,3]benzothiazole-3-carboxylic acid
SMILES: CC1CCC2=C(C1)N3C(=O)C(=CN=C3S2)C(=O)O
Tpsa: 71.67
Logp: 1.579
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂N₂O₃S
Molecular Weight:
264.30
Synonyms:
7-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido-[2,1-b][1,3]benzothiazole-3-carboxylic acid
SMILES:
CC1CCC2=C(C1)N3C(=O)C(=CN=C3S2)C(=O)O
Tpsa:
71.67
Logp:
1.579
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₂N₂O₂
Molecular Weight: 226.32
Synonyms: N-(3-Ethoxypropyl)-N-(2-furylmethyl)-ethane-1,2-diamine
SMILES: CCOCCCN(CCN)CC1=CC=CO1
Tpsa: 51.63
Logp: 1.4669
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₂N₂O₂
Molecular Weight:
226.32
Synonyms:
N-(3-Ethoxypropyl)-N-(2-furylmethyl)-ethane-1,2-diamine
SMILES:
CCOCCCN(CCN)CC1=CC=CO1
Tpsa:
51.63
Logp:
1.4669
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₂N₂O
Molecular Weight: 210.32
Synonyms: None
SMILES: CCCN(CCC)CC1=CC=C(O1)CN
Tpsa: 42.4
Logp: 2.3603
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₂N₂O
Molecular Weight:
210.32
Synonyms:
None
SMILES:
CCCN(CCC)CC1=CC=C(O1)CN
Tpsa:
42.4
Logp:
2.3603
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇ClN₂S₂
Molecular Weight: 242.75
Synonyms: N-[(5Z)-4-CHLORO-5H-1,2,3-DITHIAZOL-5-YLIDENE]-N-(4-METHYLPHENYL)AMINE
SMILES: CC1=CC=C(C=C1)N=C2C(=NSS2)Cl
Tpsa: 25.25
Logp: 3.39882
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇ClN₂S₂
Molecular Weight:
242.75
Synonyms:
N-[(5Z)-4-CHLORO-5H-1,2,3-DITHIAZOL-5-YLIDENE]-N-(4-METHYLPHENYL)AMINE
SMILES:
CC1=CC=C(C=C1)N=C2C(=NSS2)Cl
Tpsa:
25.25
Logp:
3.39882
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1